General Information of the Compound
| Compound ID |
CP0903133
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C20H21N7OS
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| Molecular Weight |
407.503
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| Canonical SMILES |
Cc1ccc(CNC(=O)c2csc(CCNCc3nc4ccccc4[nH]3)n2)nn1
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| InChI |
InChI=1S/C20H21N7OS/c1-13-6-7-14(27-26-13)10-22-20(28)17-12-29-19(25-17)8-9-21-11-18-23-15-4-2-3-5-16(15)24-18/h2-7,12,21H,8-11H2,1H3,(H,22,28)(H,23,24)
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| InChIKey |
XTFFCEJAOTYNBL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1